Th$_{3}$Pd$_{5}$ Structure: A5B3_hP8_189_cf_g-001
| Prototype | Pd$_{5}$Th$_{3}$ |
| AFLOW prototype label | A5B3_hP8_189_cf_g-001 |
| ICSD | 649755 |
| Pearson symbol | hP8 |
| Space group number | 189 |
| Space group symbol | $P\overline{6}2m$ |
| AFLOW prototype command |
aflow --proto=A5B3_hP8_189_cf_g-001
--params=$a, \allowbreak c/a, \allowbreak x_{2}, \allowbreak x_{3}$ |
Other compounds with this structure
Th$_{3}$Pt$_{5}$, Yb$_{3}$Ge$_{5}$
- The ICSD entry uses the data from (Thomson, 1963), but relabels palladium as platinum and puts the thorium atom on the (3f) site with palladium/platinum on the (3g) site. We use the published data.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}$ | (2c) | Pd I |
| $\mathbf{B_{2}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}$ | (2c) | Pd I |
| $\mathbf{B_{3}}$ | = | $x_{2} \, \mathbf{a}_{1}$ | = | $\frac{1}{2}a x_{2} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{2} \,\mathbf{\hat{y}}$ | (3f) | Pd II |
| $\mathbf{B_{4}}$ | = | $x_{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a x_{2} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{2} \,\mathbf{\hat{y}}$ | (3f) | Pd II |
| $\mathbf{B_{5}}$ | = | $- x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}$ | = | $- a x_{2} \,\mathbf{\hat{x}}$ | (3f) | Pd II |
| $\mathbf{B_{6}}$ | = | $x_{3} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{3} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{3} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (3g) | Th I |
| $\mathbf{B_{7}}$ | = | $x_{3} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{3} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{3} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (3g) | Th I |
| $\mathbf{B_{8}}$ | = | $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (3g) | Th I |
References
- J. R. Thomson, The crystal structure of Th$_{3}$Pd$_{5}$ and Th$_{3}$Pt$_{5}$, Acta Cryst. 16, 320–321 (1963), doi:10.1107/S0365110X63000864.
Found in
- J. R. Thomson, Alloys of thorium with certain transition metals: III. The system thorium-palladium, J. Less-Common Met. 6, 94–99 (1964), doi:10.1016/0022-5088(64)90113-4.
Prototype Generator
aflow --proto=A5B3_hP8_189_cf_g --params=$a,c/a,x_{2},x_{3}$